4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide

C17H27ClN2O — CID 110620401

IUPAC4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyUELLEXMZWSBDJT-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.51
Rot. Bonds9

About 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide

4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide (PubChem CID 110620401) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
PubChem CID110620401
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide
SMILESCCN(CC)C(C)CNC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C17H27ClN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21)
InChIKeyUELLEXMZWSBDJT-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(diethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110620398
N-[2-(diethylamino)propyl]-5-phenylpentanamide
CID 110301504
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
4-(2-chlorophenyl)-N-(4-methoxybutyl)butanamide
CID 110610239
N-[2-(diethylamino)propyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55973374
N-[2-(diethylamino)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110620399
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
N-[2-(diethylamino)propyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110301508
N-[2-(diethylamino)propyl]-3,3-diphenylpropanamide
CID 112502151
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
N-[4-(2-chlorophenyl)butyl]-3-methylsulfonylpropanamide
CID 110607257

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide (CID 110620401) is 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide is CCN(CC)C(C)CNC(=O)CCCc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide?
The InChIKey is UELLEXMZWSBDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-20(5-2)14(3)13-19-17(21)12-8-10-15-9-6-7-11-16(15)18/h6-7,9,11,14H,4-5,8,10,12-13H2,1-3H3,(H,19,21).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide?
4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide has a molecular weight of 310.87 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(diethylamino)propyl]butanamide is sourced from PubChem (CID 110620401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).